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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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Accession:CHEBI:156534 term browser browse the term
Definition:A member of the class of chromenes that is 2H-chromene substituted at positions 2,3,6 and 8 by phenyl, 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl, chloro and chloro groups, respectively. It is a potent retinoic acid receptor alpha agonist (Kd = 14nM) designed for the treatment of kidney disease.
Synonyms:exact_synonym: 6,8-dichloro-2-phenyl-3-{(E)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl}-2H-chromene
 related_synonym: 6,8-dichloro-2-phenyl-3-{(E)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl}-2H-1-benzopyran;   BD-4;   BD4;   BJ-1;   BJ1;   Formula=C29H27BCl2O3;   InChI=1S/C29H27BCl2O3/c1-28(2)29(3,4)35-30(34-28)23-14-11-19(12-15-23)10-13-21-16-22-17-24(31)18-25(32)27(22)33-26(21)20-8-6-5-7-9-20/h5-18,26H,1-4H3/b13-10+;   InChIKey=NLWWGBDFLKSQIM-JLHYYAGUSA-N;   SMILES=CC1(C)OB(OC1(C)C)C1=CC=C(\\C=C\\C2=CC3=CC(Cl)=CC(Cl)=C3OC2C2=CC=CC=C2)C=C1
 xref: PMID:22125642;   Patent:US2019249259



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2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Nphs1 nephrosis 1, nephrin increases expression EXP BD4 increases expression of Nphs1 mRNA in podocytes RGD PMID:22125642 RGD:40902998 NCBI chr 7:30,157,259...30,188,048
Ensembl chr 7:30,157,740...30,186,648
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G Synpo synaptopodin increases expression EXP BD4 increases expression of Synpo mRNA in podocytes RGD PMID:22125642 RGD:40902998 NCBI chr18:60,727,053...60,793,241
Ensembl chr18:60,727,045...60,793,214
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22188
    role 22173
      biological role 22172
        pharmacological role 19758
          agonist 19213
            retinoic acid receptor agonist 9761
              retinoic acid receptor alpha/beta agonist 668
                2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 22188
    subatomic particle 22180
      composite particle 22180
        hadron 22180
          baryon 22180
            nucleon 22180
              atomic nucleus 22180
                atom 22180
                  main group element atom 22114
                    p-block element atom 22114
                      carbon group element atom 21915
                        carbon atom 21840
                          organic molecular entity 21840
                            organic molecule 21654
                              organic cyclic compound 21259
                                organic heterocyclic compound 20336
                                  oxacycle 18813
                                    benzopyran 12031
                                      1-benzopyran 11780
                                        chromenes 4423
                                          2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 2
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